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BDBM50068916 3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-2,2-difluoro-3-oxo-5-phenyl-pentanoylamino)-benzoic acid::CHEMBL367094

SMILES: CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=KQYJCSAZWKMBQO-VNXZQDSDSA-N

Data: 2 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50068916   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Chymase


(Homo sapiens (Human))
BDBM50068916
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H36F2N4O10/c1-31(2,3)48-30(47)37-22(17-24(39)40)27(43)38-14-8-13-23(38)26(42)36-21(15-18-9-5-4-6-10-18)25(41)32(33,34)29(46)35-20-12-7-11-19(16-20)28(44)45/h4-7,9-12,16,21-23H,8,13-15,17H2,1-3H3,(H,35,46)(H,36,42)(H,37,47)(H,39,40)(H,44,45)/t21?,22?,23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against human heart chymase (HHC)


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50068916
PNG
(3-(4-{[(S)-1-(2-tert-Butoxycarbonylamino-3-carboxy...)
Show SMILES CC(C)(C)OC(=O)NC(CC(O)=O)C(=O)N1CCC[C@H]1C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)C(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C32H36F2N4O10/c1-31(2,3)48-30(47)37-22(17-24(39)40)27(43)38-14-8-13-23(38)26(42)36-21(15-18-9-5-4-6-10-18)25(41)32(33,34)29(46)35-20-12-7-11-19(16-20)28(44)45/h4-7,9-12,16,21-23H,8,13-15,17H2,1-3H3,(H,35,46)(H,36,42)(H,37,47)(H,39,40)(H,44,45)/t21?,22?,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Green Cross Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against Bovine Chymotrypsinogen


Bioorg Med Chem Lett 8: 919-24 (1999)


Article DOI: 10.1016/s0960-894x(98)00132-2
BindingDB Entry DOI: 10.7270/Q2BZ656D
More data for this
Ligand-Target Pair